* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    157    247     460
    1     0 S   NP   _N1_     1    28.75247    95.89258   -20.37043
    2     1 S   H    _HN1     2     1.02774    84.41047   -79.64689
    3     1 S   H    _H1_     3     1.02960    85.60917    29.32247
    4     1 S   H    _H2_     4     1.02834    39.40343   153.03353
    5     1 S   CT   _CA1     5     1.50141   150.12307   153.85279
    6     5 S   HC   _HA1     6     1.09566   105.22179    58.59451
    7     5 S   CO3  _C1_     7     1.53803   112.47283   -61.64600
    8     7 S   O2Z  _O11     8     1.26371   114.97349   -39.47081
    9     7 S   O2Z  _O12     9     1.26238   114.99322   139.74782
   10     5 S   CT   _CB1    10     1.53095   107.42591   176.67463
   11    10 S   HC   HB11    11     1.09822   109.43963   -48.95333
   12    10 S   HC   HB12    12     1.09826   110.34879    67.66088
   13    10 S   CT   _CG1    13     1.52986   112.68678  -170.00993
   14    13 S   HC   HG11    14     1.09589   110.43239   -63.20300
   15    13 S   HC   HG12    15     1.09644   110.02992    56.05735
   16    13 S   C    _CD1    16     1.51798   112.32347   176.49669
   17    16 S   O    _OE1    17     1.22712   123.29982    -2.41695
   18    16 S   N    _N2_    18     1.38590   111.54577   177.45578
   19    18 S   H    _HN2    19     1.01584   118.94065     1.80114
   20    18 S   CT1  _CA2    20     1.46300   123.50978  -176.91650
   21    20 S   HC   _HA2    21     1.09729   109.42263   -14.30676
   22    20 S   C    _C2_    22     1.53385   108.36567  -130.14436
   23    22 S   O    _O2_    23     1.23006   122.22721  -146.27129
   24    20 S   CT   _CB2    32     1.53587   110.99801   107.84549
   25    24 S   HC   HB21    33     1.09019   108.81046    56.03033
   26    24 S   HC   HB22    34     1.09509   110.62592   173.92659
   27    22 S   N    _N3_    24     1.38499   113.33580    41.09463
   28    27 S   H    _HN3    25     1.01536   118.88321    -0.77405
   29    24 S   S    _SG2    35     1.82711   111.01551   -67.31503
   30    27 S   CT   _CA3    26     1.45461   123.57834   175.15884
   31    30 S   HC   HA31    27     1.09513   109.38961    21.07240
   32    30 S   HC   HA32    28     1.09499   107.07817   138.10410
   33    29 S   CT   _C19    36     1.91551   104.09168   144.63431
   34    30 S   CO3  _C3_    29     1.52920   113.03316  -102.51196
   35    34 S   O2Z  _O31    30     1.26409   115.38019   -44.66929
   36    34 S   O2Z  _O32    31     1.26351   114.99653   136.24235
   37    33 S   CM   _C12    37     1.55472   104.74192   -78.97005
   38    33 S   CT   _C14    68     1.53615   110.81212    43.74279
   39    38 S   HC   _H28    69     1.09406   112.02310   -55.74222
   40    38 S   HC   _H29    70     1.09695   110.94297  -173.67978
   41    37 S   CM   _C11    38     1.35485   121.29850   -88.24446
   42    37 S   CT   _C21    79     1.51520   118.64131    92.78957
   43    42 S   HC   _H38    80     1.09242   110.82017   -84.86292
   44    42 S   HC   _H39    81     1.09433   112.48664   154.51920
   45    42 S   HC   _H40    82     1.09192   112.48035    37.46257
   46    41 S   CT   _C15    39     1.50400   123.08951    -3.59663
   47    46 S   HC   _H30    40     1.09754   109.62227   126.52542
   48    46 S   HC   _H31    41     1.09865   107.42427  -118.58255
   49    41 S   CT   _C20    75     1.51083   124.40971   176.60016
   50    49 S   HC   _H35    76     1.09440   110.15040    97.99887
   51    49 S   HC   _H36    77     1.09313   113.23360   -24.43176
   52    49 S   HC   _H37    78     1.09527   110.41409  -142.70800
   53    46 S   CT   _C16    42     1.52690   117.02351     3.21565
   54    53 S   HC   _H32    43     1.09704   109.18713    95.37530
   55    53 S   HC   _H33    44     1.09467   104.93820  -152.09762
   56    33 S   CT   _C18    45     1.60068   108.25494   161.52060
   57    56 S   CA   _C5_    46     1.55708   110.11882   -61.81791
   58    56 S   CT   _C23    71     1.55825   112.09408  -178.51325
   59    58 S   HC   _H44    72     1.09411   112.51426   -53.01997
   60    58 S   HC   _H45    73     1.09730   110.77462  -172.97111
   61    58 S   HC   _H46    74     1.09550   112.58779    68.40054
   62    57 S   CA   _C4_    47     1.43047   119.65424   -32.01378
   63    62 S   CA   _C8_    48     1.41481   121.22846   179.44292
   64    62 S   CO4  _C10    66     1.48910   120.06998    -1.86267
   65    64 S   O    _O21    67     1.23011   120.38422  -169.09116
   66    63 S   CA   _C6_    49     1.37805   119.34205     0.35332
   67    63 S   OH   _O23    64     1.36666   124.28395  -179.91153
   68    67 S   HO   _H47    65     0.97341   109.06793    -2.02246
   69    66 S   CA   _C7_    50     1.37622   120.01529     1.43913
   70    57 S   CA   _C9_    51     1.41309   123.39086   150.35276
   71    69 S   OS   _O22    54     1.37372   113.50674   177.79842
   72    70 S   OH   _O24    52     1.36397   122.42639     2.42229
   73    72 S   HO   _H48    53     0.97384   108.24514   179.91153
   74    71 S   CT   _C17    55     1.45099   103.93509    12.90419
   75    74 S   HC   _H34    56     1.09865   107.07741    97.01005
   76    66 S   CT   _C13    57     1.48056   130.24257   176.84148
   77    76 S   HC   _H26    58     1.09514   110.11193   -71.94852
   78    76 S   HC   _H27    59     1.09353   113.48772    51.69353
   79    74 S   CT   _C22    60     1.51979   108.93158  -144.90710
   80    79 S   HC   _H41    61     1.09552   111.00047    58.88105
   81    79 S   HC   _H42    62     1.09523   110.32295   -59.04255
   82    79 S   HC   _H43    63     1.09401   111.24060  -179.77272
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  24   2   1   1  20  12   5   4  15   6   2   1   1  12   6   5
   4   2   1   1  10   4   3  11  15   5   2   1   1  10  12   4
   1  12   3   1  10   5  10   1   1   8   7   6   2   1   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    56    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    53    56    57    64    38    39    40    58    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    46    53    54    55    56    57    62    70    64    65    38    39    40    58    59    60    61    49    42    43    44    45  
   35    36  
   36  
    0  
   41    46    47    48    53    56    57    64    38    39    40    58    49    50    51    52    42    43    44    45  
   39    40    58    42    41    53    56    57    62    63    64    65  
   40    56    62    64    65  
   56    62    64    65  
   46    47    48    53    54    55    56    49    50    51    52    42    43    44    45  
   43    44    45    46    49    56  
   44    45  
   45  
    0  
   47    48    53    54    55    56    57    58    49    50    51    52  
   48    53    54    55    56    49  
   53    54    55    56    49  
   50    51    52    53  
   51    52  
   52  
    0  
   54    55    56    57    62    70    58    59    60    61  
   55    56    57    58  
   56    57    58  
   57    62    63    69    70    72    64    58    59    60    61  
   62    63    66    69    70    72    73    71    67    64    65    58    59    60    61  
   59    60    61    62    70  
   60    61  
   61  
    0  
   63    66    69    70    72    76    67    68    64    65  
   66    69    70    71    74    76    77    78    67    68    64    65  
   65    66    67    70  
    0  
   69    70    72    71    74    75    76    77    78    79    67    68  
   68    69    76  
    0  
   70    72    73    71    74    75    76    77    78    79  
   72    73    71    74    76  
   74    75    76    77    78    79    80    81    82    72  
   73  
    0  
   75    76    77    78    79    80    81    82  
   76    77    78    79    80    81    82  
   77    78    79    80    81    82  
   78    79  
   79  
   80    81    82  
   81    82  
   82  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   64   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    56   268.000  1.529
   33    38   268.000  1.529
   37    41   549.000  1.340
   37    42   317.000  1.510
   41    46   317.000  1.510
   41    49   317.000  1.510
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   268.000  1.529
   56    57   317.000  1.510
   56    58   268.000  1.529
   57    62   469.000  1.400
   57    70   469.000  1.400
   62    63   469.000  1.400
   62    64   310.000  1.470
   63    66   469.000  1.400
   63    67   450.000  1.364
   66    69   469.000  1.400
   66    76   317.000  1.510
   69    70   469.000  1.400
   69    71   450.000  1.364
   70    72   450.000  1.364
   72    73   553.000  0.945
   71    74   320.000  1.410
   74    75   340.000  1.090
   74    76   268.000  1.529
   74    79   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   67    68   553.000  0.945
   64    65   570.000  1.229
   64    38   317.000  1.522
   38    39   340.000  1.090
   38    40   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    56    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  124.00000
   33    37    42    65.00000  117.92700
   33    56    53    58.35000  112.70000
   33    56    57    70.00000  112.17500
   33    56    58    58.35000  112.70000
   33    38    64    63.00000  111.10000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   37    41    46    70.00000  124.00000
   37    41    49    70.00000  124.00000
   37    42    43    35.00000  109.50000
   37    42    44    35.00000  109.50000
   37    42    45    35.00000  109.50000
   41    46    47    35.00000  109.50000
   41    46    48    35.00000  109.50000
   41    46    53    70.00000  112.02700
   41    49    50    35.00000  109.50000
   41    49    51    35.00000  109.50000
   41    49    52    35.00000  109.50000
   46    53    54    37.50000  110.70000
   46    53    55    37.50000  110.70000
   46    53    56    58.35000  112.70000
   48    46    47    33.00000  107.80000
   53    46    47    37.50000  110.70000
   53    46    48    37.50000  110.70000
   53    56    57    70.00000  112.17500
   53    56    58    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    33    37    70.00000  112.02700
   56    53    54    37.50000  110.70000
   56    53    55    37.50000  110.70000
   56    57    62    70.00000  120.00000
   56    57    70    70.00000  120.00000
   56    58    59    37.50000  110.70000
   56    58    60    37.50000  110.70000
   56    58    61    37.50000  110.70000
   57    62    63    63.00000  120.00000
   57    62    64    60.00000  119.52600
   57    70    69    63.00000  120.00000
   57    70    72    70.00000  120.00000
   62    63    66    63.00000  120.00000
   62    63    67    70.00000  120.00000
   62    64    65    75.00000  123.78400
   62    64    38    65.00000  115.47100
   63    66    69    63.00000  120.00000
   63    66    76    70.00000  120.00000
   63    67    68    35.00000  113.00000
   66    69    70    63.00000  120.00000
   66    69    71    70.00000  120.00000
   66    76    74    70.00000  112.17500
   66    76    77    35.00000  109.50000
   66    76    78    35.00000  109.50000
   69    70    72    70.00000  120.00000
   69    71    74    75.00000  111.00000
   70    57    62    63.00000  120.00000
   70    72    73    35.00000  113.00000
   71    69    70    70.00000  120.00000
   71    74    75    35.00000  109.50000
   71    74    76    50.00000  109.50000
   71    74    79    50.00000  109.50000
   74    76    77    37.50000  110.70000
   74    76    78    37.50000  110.70000
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    82    37.50000  110.70000
   76    66    69    70.00000  120.00000
   76    74    75    37.50000  110.70000
   78    76    77    33.00000  107.80000
   79    74    75    37.50000  110.70000
   79    74    76    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   67    63    66    70.00000  120.00000
   64    62    63    60.00000  119.52600
   64    38    39    35.00000  109.50000
   64    38    40    35.00000  109.50000
   38    33    37    70.00000  112.02700
   38    33    56    58.35000  112.70000
   38    64    65    80.00000  120.40000
   40    38    39    33.00000  107.80000
   58    56    57    70.00000  112.17500
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   49    41    46    65.00000  117.92700
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   42    37    41    70.00000  124.00000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    37    42   0.30250  1.0 1.0
   29    33    37    42  -0.14950 -1.0 2.0
   29    33    37    42   0.36900  1.0 3.0
   29    33    56    53   0.44750  1.0 1.0
   29    33    56    53  -0.17800 -1.0 2.0
   29    33    56    53   0.20200  1.0 3.0
   29    33    56    57   0.56750  1.0 1.0
   29    33    56    57  -0.07550 -1.0 2.0
   29    33    56    57   0.20000  1.0 3.0
   29    33    56    58   0.44750  1.0 1.0
   29    33    56    58  -0.17800 -1.0 2.0
   29    33    56    58   0.20200  1.0 3.0
   29    33    38    64   0.56750  1.0 1.0
   29    33    38    64  -0.07550 -1.0 2.0
   29    33    38    64   0.20000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   33    37    41    46   7.00000 -1.0 2.0
   33    37    41    49   7.00000 -1.0 2.0
   33    37    42    43   0.34800  1.0 3.0
   33    37    42    44   0.34800  1.0 3.0
   33    37    42    45   0.34800  1.0 3.0
   33    56    57    62   0.04150 -1.0 2.0
   33    56    57    70   0.04150 -1.0 2.0
   33    56    58    59   0.15000  1.0 3.0
   33    56    58    60   0.15000  1.0 3.0
   33    56    58    61   0.15000  1.0 3.0
   37    33    56    53   0.34400  1.0 1.0
   37    33    56    53   0.09450 -1.0 2.0
   37    33    56    53   0.11100  1.0 3.0
   37    33    56    57   0.21200  1.0 1.0
   37    33    56    57   0.16900 -1.0 2.0
   37    33    56    57  -1.15100  1.0 3.0
   37    33    56    58   0.34400  1.0 1.0
   37    33    56    58   0.09450 -1.0 2.0
   37    33    56    58   0.11100  1.0 3.0
   37    33    38    64  -0.98800  1.0 1.0
   37    33    38    64   0.48800 -1.0 2.0
   37    33    38    64   0.76800  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    41    46    47   0.00000  1.0 1.0
   37    41    46    48   0.00000  1.0 1.0
   37    41   -46    53   0.09850  1.0 1.0
   37    41   -46    53   0.15250 -1.0 2.0
   37    41   -46    53  -0.50650  1.0 3.0
   37    41    49    50   0.00000  1.0 1.0
   37    41    49    51   0.00000  1.0 1.0
   37    41    49    52   0.00000  1.0 1.0
   41    37    42    43   0.00000  1.0 1.0
   41    37    42    44   0.00000  1.0 1.0
   41    37    42    45   0.00000  1.0 1.0
   41    46    53    54   0.15000  1.0 3.0
   41    46    53    55   0.15000  1.0 3.0
   41    46    53    56   0.34400  1.0 1.0
   41    46    53    56   0.09450 -1.0 2.0
   41    46    53    56   0.11100  1.0 3.0
   46    41    49    50   0.34800  1.0 3.0
   46    41    49    51   0.34800  1.0 3.0
   46    41    49    52   0.34800  1.0 3.0
   46    53   -56    33   0.56750  1.0 1.0
   46    53   -56    33  -0.07550 -1.0 2.0
   46    53   -56    33   0.20000  1.0 3.0
   46    53    56    57  -0.03700  1.0 1.0
   46    53    56    57   0.37200 -1.0 2.0
   46    53    56    57  -0.47300  1.0 3.0
   46    53    56    58   0.56750  1.0 1.0
   46    53    56    58  -0.07550 -1.0 2.0
   46    53    56    58   0.20000  1.0 3.0
   47    46    53    54   0.15000  1.0 3.0
   47    46    53    55   0.15000  1.0 3.0
   47    46    53    56   0.15000  1.0 3.0
   48    46    53    54   0.15000  1.0 3.0
   48    46    53    55   0.15000  1.0 3.0
   48    46    53    56   0.15000  1.0 3.0
   53    56    57    62   0.04150 -1.0 2.0
   53    56    57    70   0.04150 -1.0 2.0
   53    56    58    59   0.15000  1.0 3.0
   53    56    58    60   0.15000  1.0 3.0
   53    56    58    61   0.15000  1.0 3.0
   54    53    56    33   0.15000  1.0 3.0
   54    53    56    57   0.43200  1.0 3.0
   54    53    56    58   0.15000  1.0 3.0
   55    53    56    33   0.15000  1.0 3.0
   55    53    56    57   0.43200  1.0 3.0
   55    53    56    58   0.15000  1.0 3.0
   56    33   -37    41   0.09850  1.0 1.0
   56    33   -37    41   0.15250 -1.0 2.0
   56    33   -37    41  -0.50650  1.0 3.0
   56    33    37    42   0.46850  1.0 1.0
   56    33    37    42   0.08550 -1.0 2.0
   56    33    37    42   0.09800  1.0 3.0
   56    33    38    64  -0.95700  1.0 1.0
   56    33    38    64  -0.18200 -1.0 2.0
   56    33    38    64   0.29450  1.0 3.0
   56    33    38    39   0.15000  1.0 3.0
   56    33    38    40   0.15000  1.0 3.0
   56    57    62    63   3.62500 -1.0 2.0
   56    57   -62    64   3.62500 -1.0 2.0
   56    57    70    69   3.62500 -1.0 2.0
   56    57    70    72   3.62500 -1.0 2.0
   57    56    58    59   0.43200  1.0 3.0
   57    56    58    60   0.43200  1.0 3.0
   57    56    58    61   0.43200  1.0 3.0
   57    62    63    66   3.62500 -1.0 2.0
   57    62    63    67   3.62500 -1.0 2.0
   57    62    64    65   1.05000 -1.0 2.0
   57    62    64    38   2.26350  1.0 1.0
   57    62    64    38   0.76750 -1.0 2.0
   57    62    64    38   0.22500  1.0 3.0
   57    70    72    73   0.84100 -1.0 2.0
   62    57    70    69   3.62500 -1.0 2.0
   62    57    70    72   3.62500 -1.0 2.0
   62    63   -66    69   3.62500 -1.0 2.0
   62    63    66    76   3.62500 -1.0 2.0
   62    63    67    68   0.84100 -1.0 2.0
   62    64   -38    33   0.05850 -1.0 2.0
   62    64   -38    33   0.17250  1.0 3.0
   62    64    38    39   0.00000  1.0 1.0
   62    64    38    40   0.00000  1.0 1.0
   63    62    64    65   1.05000 -1.0 2.0
   63    62    64    38   2.26350  1.0 1.0
   63    62    64    38   0.76750 -1.0 2.0
   63    62    64    38   0.22500  1.0 3.0
   63    66    69    70   3.62500 -1.0 2.0
   63    66    69    71   3.62500 -1.0 2.0
   63    66    76    74   0.04150 -1.0 2.0
   63    66    76    77   0.00000  1.0 1.0
   63    66    76    78   0.00000  1.0 1.0
   66    63    67    68   0.84100 -1.0 2.0
   66    69   -70    57   3.62500 -1.0 2.0
   66    69    70    72   3.62500 -1.0 2.0
   66    69   -71    74   1.63200 -1.0 2.0
   69    66   -76    74   0.04150 -1.0 2.0
   69    66    76    77   0.00000  1.0 1.0
   69    66    76    78   0.00000  1.0 1.0
   69    70    72    73   0.84100 -1.0 2.0
   69    71    74    75   0.08050  1.0 3.0
   69    71   -74    76  -0.32850  1.0 1.0
   69    71   -74    76  -0.35800 -1.0 2.0
   69    71   -74    76   0.33950  1.0 3.0
   69    71    74    79  -0.32850  1.0 1.0
   69    71    74    79  -0.35800 -1.0 2.0
   69    71    74    79   0.33950  1.0 3.0
   70    57   -62    63   3.62500 -1.0 2.0
   70    57    62    64   3.62500 -1.0 2.0
   70    69    71    74   1.63200 -1.0 2.0
   71    69    70    57   3.62500 -1.0 2.0
   71    69    70    72   3.62500 -1.0 2.0
   71    74   -76    66  -0.64350  1.0 1.0
   71    74   -76    66  -0.04200 -1.0 2.0
   71    74   -76    66   0.19800  1.0 3.0
   71    74    76    77   0.23400  1.0 3.0
   71    74    76    78   0.23400  1.0 3.0
   71    74    79    80   0.23400  1.0 3.0
   71    74    79    81   0.23400  1.0 3.0
   71    74    79    82   0.23400  1.0 3.0
   75    74    76    66   0.43200  1.0 3.0
   75    74    76    77   0.15000  1.0 3.0
   75    74    76    78   0.15000  1.0 3.0
   75    74    79    80   0.15000  1.0 3.0
   75    74    79    81   0.15000  1.0 3.0
   75    74    79    82   0.15000  1.0 3.0
   76    66    69    70   3.62500 -1.0 2.0
   76    66   -69    71   3.62500 -1.0 2.0
   76    74    79    80   0.15000  1.0 3.0
   76    74    79    81   0.15000  1.0 3.0
   76    74    79    82   0.15000  1.0 3.0
   79    74    76    66  -0.03700  1.0 1.0
   79    74    76    66   0.37200 -1.0 2.0
   79    74    76    66  -0.47300  1.0 3.0
   79    74    76    77   0.15000  1.0 3.0
   79    74    76    78   0.15000  1.0 3.0
   67    63    66    69   3.62500 -1.0 2.0
   67    63    66    76   3.62500 -1.0 2.0
   64    62    63    66   3.62500 -1.0 2.0
   64    62    63    67   3.62500 -1.0 2.0
   65    64    38    33   0.30150 -1.0 2.0
   65    64    38    39   0.00000  1.0 1.0
   65    64    38    40   0.00000  1.0 1.0
   38    33    37    41   0.09850  1.0 1.0
   38    33    37    41   0.15250 -1.0 2.0
   38    33    37    41  -0.50650  1.0 3.0
   38    33    37    42   0.46850  1.0 1.0
   38    33    37    42   0.08550 -1.0 2.0
   38    33    37    42   0.09800  1.0 3.0
   38    33    56    53   0.56750  1.0 1.0
   38    33    56    53  -0.07550 -1.0 2.0
   38    33    56    53   0.20000  1.0 3.0
   38    33   -56    57  -0.03700  1.0 1.0
   38    33   -56    57   0.37200 -1.0 2.0
   38    33   -56    57  -0.47300  1.0 3.0
   38    33    56    58   0.56750  1.0 1.0
   38    33    56    58  -0.07550 -1.0 2.0
   38    33    56    58   0.20000  1.0 3.0
   58    56    57    62   0.04150 -1.0 2.0
   58    56    57    70   0.04150 -1.0 2.0
   49    41    46    47   0.34800  1.0 3.0
   49    41    46    48   0.34800  1.0 3.0
   49    41    46    53   0.46850  1.0 1.0
   49    41    46    53   0.08550 -1.0 2.0
   49    41    46    53   0.09800  1.0 3.0
   42    37    41    46   7.00000 -1.0 2.0
   42    37    41    49   7.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    42    37    41   1.10000 -1.0 2.0
   46    49    41    37   1.10000 -1.0 2.0
   62    70    57    56   4.00000 -1.0 2.0
   63    64    62    57   4.00000 -1.0 2.0
   66    67    63    62   4.00000 -1.0 2.0
   69    76    66    63   4.00000 -1.0 2.0
   70    71    69    66   4.00000 -1.0 2.0
   69    72    70    57   4.00000 -1.0 2.0
   62    38    64    65  10.50000 -1.0 2.0
END
